2-(piperazin-1-ylmethyl)benzoic acid


Chemical Name: 2-(piperazin-1-ylmethyl)benzoic acid
CAS Number: 773109-06-1
Product Number: AG00G9QQ(AGN-PC-079RW9)
Synonyms:
MDL No:
Molecular Formula: C12H16N2O2
Molecular Weight: 220.26764

Identification/Properties


Computed Properties
Molecular Weight:
220.272g/mol
XLogP3:
-1.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
220.121g/mol
Monoisotopic Mass:
220.121g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
239
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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